N-propyl-1-(thiolan-3-yl)but-3-en-1-amine

C11H21NS — CID 105108240

IUPACN-propyl-1-(thiolan-3-yl)but-3-en-1-amine
SMILESC=CCC(NCCC)C1CCSC1
InChIInChI=1S/C11H21NS/c1-3-5-11(12-7-4-2)10-6-8-13-9-10/h3,10-12H,1,4-9H2,2H3
InChIKeyDFGRKPKNPSUTLL-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.68
Rot. Bonds6

About N-propyl-1-(thiolan-3-yl)but-3-en-1-amine

N-propyl-1-(thiolan-3-yl)but-3-en-1-amine (PubChem CID 105108240) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-propyl-1-(thiolan-3-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-propyl-1-(thiolan-3-yl)but-3-en-1-amine
PubChem CID105108240
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-propyl-1-(thiolan-3-yl)but-3-en-1-amine
SMILESC=CCC(NCCC)C1CCSC1
InChIInChI=1S/C11H21NS/c1-3-5-11(12-7-4-2)10-6-8-13-9-10/h3,10-12H,1,4-9H2,2H3
InChIKeyDFGRKPKNPSUTLL-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine
CID 44447164
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
CID 57284310
2-Pentyl-5,5-bis(prop-2-enyl)-1,3-thiazolidine
CID 69921126
N-ethyl-3,3a,8,8a-tetrahydro-2H-cyclohepta[b]thiophen-3-amine
CID 91535702
3-(1-ethylsulfanylethyl)-N-oct-7-en-2-yl-5-thiabicyclo[2.1.0]pentan-2-amine
CID 123976331
1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine
CID 130217337
(Z)-7-ethylsulfanyl-N,5-dimethylhept-6-en-3-amine
CID 146226420
2-[(4-ethyl-4-methylcyclopent-2-en-1-yl)methylsulfanyl]-N-propan-2-ylpropan-2-amine
CID 146385209

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(thiolan-3-yl)but-3-en-1-amine?
The IUPAC name of N-propyl-1-(thiolan-3-yl)but-3-en-1-amine (CID 105108240) is N-propyl-1-(thiolan-3-yl)but-3-en-1-amine.
What is the SMILES notation for N-propyl-1-(thiolan-3-yl)but-3-en-1-amine?
The canonical SMILES for N-propyl-1-(thiolan-3-yl)but-3-en-1-amine is C=CCC(NCCC)C1CCSC1.
What is the InChIKey of N-propyl-1-(thiolan-3-yl)but-3-en-1-amine?
The InChIKey is DFGRKPKNPSUTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-3-5-11(12-7-4-2)10-6-8-13-9-10/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-propyl-1-(thiolan-3-yl)but-3-en-1-amine?
N-propyl-1-(thiolan-3-yl)but-3-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(thiolan-3-yl)but-3-en-1-amine is sourced from PubChem (CID 105108240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).